2-ethylidene-3-piperazin-1-ylpent-3-enenitrile

C11H17N3 — CID 123164348

IUPAC2-ethylidene-3-piperazin-1-ylpent-3-enenitrile
SMILESCC=C(C#N)C(=CC)N1CCNCC1
InChIInChI=1S/C11H17N3/c1-3-10(9-12)11(4-2)14-7-5-13-6-8-14/h3-4,13H,5-8H2,1-2H3
InChIKeyWOSOULBWCKVWLV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.27
Rot. Bonds2

About 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile

2-ethylidene-3-piperazin-1-ylpent-3-enenitrile (PubChem CID 123164348) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile.

Molecular Properties

Compound Name2-ethylidene-3-piperazin-1-ylpent-3-enenitrile
PubChem CID123164348
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-ethylidene-3-piperazin-1-ylpent-3-enenitrile
SMILESCC=C(C#N)C(=CC)N1CCNCC1
InChIInChI=1S/C11H17N3/c1-3-10(9-12)11(4-2)14-7-5-13-6-8-14/h3-4,13H,5-8H2,1-2H3
InChIKeyWOSOULBWCKVWLV-UHFFFAOYSA-N
XLogP1.27
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-Dimethyl-1-(2-piperazin-1-ylethyl)pyridin-4-ylidene]propanedinitrile
CID 3655440
(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
CID 142959114
6-(Dimethylamino)-3-fluoro-4-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
CID 163768903
2-[1-(2-Aminoethyl)-2,6-dimethyl-4-pyridinylidene]butanenitrile
CID 68343105
5,6-Dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 69510805
1-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]piperazine
CID 88910974
(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 88917398
2-[1-(2-Aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 88968848
5-Amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89014244
(2E,3Z)-5-(2-aminoethylamino)-2-ethylidenehexa-3,5-dienenitrile
CID 89057244
(4S)-5-amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89335511
(E)-2-methyl-4-piperazin-1-ylpent-2-enenitrile
CID 90151727

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile?
The IUPAC name of 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile (CID 123164348) is 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile.
What is the SMILES notation for 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile?
The canonical SMILES for 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile is CC=C(C#N)C(=CC)N1CCNCC1.
What is the InChIKey of 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile?
The InChIKey is WOSOULBWCKVWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-10(9-12)11(4-2)14-7-5-13-6-8-14/h3-4,13H,5-8H2,1-2H3.
What are the key properties of 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile?
2-ethylidene-3-piperazin-1-ylpent-3-enenitrile has a molecular weight of 191.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-piperazin-1-ylpent-3-enenitrile is sourced from PubChem (CID 123164348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).